SCHEMBL19361983

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](C)CCC(=O)O)C(C)C)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	CXCR4	P61073	10/20	0.58

▸	CALCA	P06881	2/20	0.57

▸	NPY1R	P25929	1/20	0.56

▸	NPY2R	P49146	1/20	0.56

▸	NPY4R	P50391	1/20	0.56

▸	NPY5R	Q15761	1/20	0.56

▸	CTSL	P07711	2/20	0.53

▸	CTSS	P25774	2/20	0.53

▸	CTSK	P43235	2/20	0.53

▸	CTSH	P09668	1/20	0.53

▸	GLP1R	P43220	4/20	0.53

▸	GCGR	P47871	3/20	0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL17327767	0.93	CXCR4 (0.61)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL29645138	0.89	CXCR4 (0.58)	CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29645132	0.87	CXCR4 (0.62)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31622295	0.86	CXCR4 (0.64)	CXCR4CALCAGLP1R
SCHEMBL31073511	0.85	CXCR4 (0.61)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31665985	0.85	CXCR4 (0.64)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182454	0.85	CXCR4 (0.68)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30712904	0.84	CXCR4 (0.68)	CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30712878	0.84	CXCR4 (0.65)	CXCR4CALCANPY1RNPY2RNPY4R
SCHEMBL30666394	0.84	CXCR4 (0.63)	CXCR4CALCANPY1RNPY2RNPY4R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-9764037-B2	Conjugate compounds	VICTORIA LINK LIMITED (NZ)	2017-09-19	—	—	US	disclosed